Chlorine in PDB 3w1l: Crystal Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with 5-Chloroorotate

All present enzymatic activity of Crystal Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with 5-Chloroorotate:
1.3.98.1;

The structure of Crystal Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with 5-Chloroorotate, PDB code: 3w1l was solved by D.K.Inaoka, M.Iida, T.Tabuchi, N.Lee, S.Matsuoka, T.Shiba, K.Sakamoto, S.Suzuki, E.O.Balogun, T.Nara, T.Aoki, M.Inoue, T.Honma, A.Tanaka, S.Harada, K.Kita, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.33 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	68.364, 71.894, 123.839, 90.00, 90.00, 90.00
R / Rfree (%)	15 / 18.9

The structure of Crystal Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with 5-Chloroorotate also contains other interesting chemical elements:

Cobalt

(Co)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with 5-Chloroorotate (pdb code 3w1l). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with 5-Chloroorotate, PDB code: 3w1l:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with 5-Chloroorotate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with 5-Chloroorotate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:3.5 occ:1.00 CL A:HRO403 0.0 3.5 1.0 CAJ A:HRO403 1.8 7.0 1.0 CAL A:HRO403 2.8 8.0 1.0 CAI A:HRO403 2.9 8.0 1.0 OAC A:HRO403 3.1 9.1 1.0 OAD A:HRO403 3.1 10.6 1.0 CAH A:HRO403 3.2 10.0 1.0 CD1 A:LEU71 3.5 20.5 1.0 O4 A:FMN401 3.6 9.1 1.0 SG A:CYS130 3.6 28.0 1.0 C4 A:FMN401 3.6 8.7 1.0 ND2 A:ASN127 3.9 10.4 1.0 N3 A:FMN401 3.9 9.2 1.0 CB A:CYS130 4.0 22.1 1.0 NAG A:HRO403 4.1 7.6 1.0 NAF A:HRO403 4.1 8.8 1.0 C4A A:FMN401 4.2 8.1 1.0 CB A:SER44 4.2 10.8 1.0 NZ A:LYS43 4.2 9.7 1.0 OAA A:HRO403 4.2 11.2 1.0 CB A:LEU71 4.3 14.6 1.0 CA A:LEU71 4.4 11.6 1.0 CG A:LEU71 4.4 19.6 1.0 OG A:SER44 4.4 11.2 1.0 N5 A:FMN401 4.5 9.0 1.0 CD2 A:LEU71 4.6 17.9 1.0 CAK A:HRO403 4.7 8.3 1.0 OG A:SER99 4.7 17.7 1.0 C2 A:FMN401 4.7 8.6 1.0 N A:LEU71 4.7 10.9 1.0 CA A:CYS130 4.7 20.9 1.0 CE A:LYS43 4.7 10.0 1.0 C10 A:FMN401 4.9 7.8 1.0 CB A:SER99 5.0 13.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with 5-Chloroorotate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with 5-Chloroorotate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:3.2 occ:1.00 CL B:HRO402 0.0 3.2 1.0 CAJ B:HRO402 1.9 9.1 1.0 CAL B:HRO402 2.8 9.2 1.0 CAI B:HRO402 2.9 8.8 1.0 OAC B:HRO402 3.1 10.8 1.0 OAA B:HRO402 3.1 11.9 1.0 CAH B:HRO402 3.2 11.9 1.0 SG B:CYS130 3.6 41.9 1.0 O4 B:FMN401 3.6 10.2 1.0 C4 B:FMN401 3.7 9.0 1.0 CD1 B:LEU71 3.7 17.7 1.0 ND2 B:ASN127 3.8 13.0 1.0 CB B:CYS130 3.9 30.9 1.0 N3 B:FMN401 3.9 9.4 1.0 NAG B:HRO402 4.1 9.5 1.0 OAD B:HRO402 4.1 12.5 1.0 NAF B:HRO402 4.1 10.7 1.0 C4A B:FMN401 4.2 8.8 1.0 CB B:SER44 4.2 12.3 1.0 NZ B:LYS43 4.2 12.0 1.0 CB B:LEU71 4.2 13.7 1.0 CA B:LEU71 4.4 11.1 1.0 CG B:LEU71 4.4 16.7 1.0 OG B:SER44 4.5 12.3 1.0 CD2 B:LEU71 4.6 18.6 1.0 N5 B:FMN401 4.6 10.4 1.0 CAK B:HRO402 4.6 10.3 1.0 OG B:SER99 4.6 19.7 1.0 CA B:CYS130 4.7 29.6 1.0 C2 B:FMN401 4.7 9.6 1.0 N B:LEU71 4.8 12.6 1.0 CE B:LYS43 4.8 11.3 1.0 C10 B:FMN401 5.0 7.7 1.0 CB B:SER99 5.0 14.4 1.0

D.K.Inaoka, M.Iida, T.Tabuchi, N.Lee, S.Matsuoka, T.Shiba, K.Sakamoto, S.Suzuki, E.O.Balogun, T.Nara, T.Aoki, M.Inoue, T.Honma, A.Tanaka, S.Harada, K.Kita. Crystal Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with 5-Chloroorotate To Be Published.